Subject Guides: Crystallography: Home

Free Crystallographic Services & Software from Cambridge Crystallographic Data Centre (CCDC)

Access Structures
Retrieve & view structures from the Cambridge Structural Database (CSD)
CSDSymmetry
Microsoft Access database: molecular point group, space group, Z, Z', & occupied Wyckoff position symmetry for molecules listed in the CSD
EnCIFer
Edit & validate Crystallographic Information File (CIF) format
Mercury
Basic version of CCDC structure visualization & analysis software
Teaching Database
CSD Educational Collection (>750 structures)

Additional Online Crystal Data Sources

American Mineralogist Crystal Structure Database
Structures published in American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy, Physics and Chemistry of Minerals, & other journals
Bilbao Crystallographic Server
Free crystallographic & solid state programs and utilities
Crystallography Open Database
Open-access collection of organic, inorganic, metal-organic, & and mineral crystal structures
Database of Zeolite Structures
All zeolite framework types approved by the International Zeolite Association Structure Commission (IZA-SC)
FIZ Karlsruhe ICSD (Inorganic Crystal Structure Database)
Not a library subscription. For access, ask your department if it subscribes to STN or contact the FIZ Karlsruhe Search Service for information on outsourced searches.

International Tables for Crystallography
Reference work on crystallography and crystallographic methods, edited by the International Union of Crystallography includes articles and data tables. Emphasizes physical and chemical properties, symmetry, and crystal structure determination techniques

Worldwide Protein Data Bank (wwPDB)
Structural data for biological macromolecules: proteins, nucleic acids, and complex assemblies. Includes access to the RCSB Protein Data Bank ("PDB")

Data Tables at Fogler Library

The Landolt-Börnstein collection (Zahlenwerte und Funktionen aus Physik, Chemie, Astronomie, Geophysik und Technik) includes crystal data under several broad umbrellas, including:

6th ed., vol. I/4: Crystals in Reference, QC 61 .L33
New Series, vol. III: Condensed Matter in Reference, QC 61 .L332.

For crystallographic data on specific substances, start by searching for the substance in the Landolt-Börnstein collection in SpringerMaterials to identify the appropriate volume & subvolume.

Crystal Structures, 2nd ed.
Call Number: QD 951 .W82
Pearson's Handbook of Crystallographic Data for Intermetallic Phases
Call Number: QD 951 .W82